N-(7-acetamidothianthren-2-yl)acetamide

C16H14N2O2S2 — CID 13215772

IUPACN-(7-acetamidothianthren-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)Sc1ccc(NC(C)=O)cc1S2
InChIInChI=1S/C16H14N2O2S2/c1-9(19)17-11-3-5-13-15(7-11)21-14-6-4-12(18-10(2)20)8-16(14)22-13/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeyLFXHWTQSXLUAEH-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.22
Rot. Bonds2

About N-(7-acetamidothianthren-2-yl)acetamide

N-(7-acetamidothianthren-2-yl)acetamide (PubChem CID 13215772) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-(7-acetamidothianthren-2-yl)acetamide.

Molecular Properties

Compound NameN-(7-acetamidothianthren-2-yl)acetamide
PubChem CID13215772
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC NameN-(7-acetamidothianthren-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)Sc1ccc(NC(C)=O)cc1S2
InChIInChI=1S/C16H14N2O2S2/c1-9(19)17-11-3-5-13-15(7-11)21-14-6-4-12(18-10(2)20)8-16(14)22-13/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKeyLFXHWTQSXLUAEH-UHFFFAOYSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(Z)-butan-2-ylideneamino] N-[7-[[(Z)-butan-2-ylideneamino]oxycarbonylamino]thianthren-2-yl]carbamate
CID 164732214
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
N-phenylacetamide
CID 101272191
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
N-(6,7-dihydroxy-5,8-dioxonaphthalen-2-yl)acetamide
CID 135839434
N-(3-oxospiro[1-benzothiophene-2,1'-cyclopropane]-6-yl)acetamide
CID 12767920
N-[4-chloro-3-(dimethylamino)phenyl]acetamide
CID 19857498
N-[4-[(3,5-dichlorophenyl)carbamothioylamino]phenyl]acetamide
CID 15954830
N-(4-methylphenyl)acetamide
CID 7684
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
N-(3-fluoro-4-iodophenyl)acetamide
CID 22991944
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069

Frequently Asked Questions

What is the IUPAC name of N-(7-acetamidothianthren-2-yl)acetamide?
The IUPAC name of N-(7-acetamidothianthren-2-yl)acetamide (CID 13215772) is N-(7-acetamidothianthren-2-yl)acetamide.
What is the SMILES notation for N-(7-acetamidothianthren-2-yl)acetamide?
The canonical SMILES for N-(7-acetamidothianthren-2-yl)acetamide is CC(=O)Nc1ccc2c(c1)Sc1ccc(NC(C)=O)cc1S2.
What is the InChIKey of N-(7-acetamidothianthren-2-yl)acetamide?
The InChIKey is LFXHWTQSXLUAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-9(19)17-11-3-5-13-15(7-11)21-14-6-4-12(18-10(2)20)8-16(14)22-13/h3-8H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(7-acetamidothianthren-2-yl)acetamide?
N-(7-acetamidothianthren-2-yl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 4.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-acetamidothianthren-2-yl)acetamide is sourced from PubChem (CID 13215772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).